SCHEMBL8922875

SCHEMBL8922875

CN[C@](C)(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KCNN4 O15554 2/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 2/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11480581 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8272779 0.85 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28746937 0.83 ESR1 (0.46) LMNACYP3A4ALDH1A1ESR1ESR2
SCHEMBL30937419 0.81 HSD17B1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3724577 0.81 CYP1A2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29793498 0.81 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21807366 0.79 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL363022 0.79 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL21635150 0.79 CYP1A2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL21635151 0.79 CYP1A2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-07-06 US disclosed
US-9637497-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors Nerviano Medical Sciences, S.R.L. (IT) 2017-05-02 US disclosed
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-02-23 US disclosed
US-9464090-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-10-11 US disclosed
US-20150158876-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-06-11 US disclosed
US-8981089-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US disclosed
US-8541429-B2 Pyrazolo quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-05-14 US disclosed
US-7482354-B2 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-27 US disclosed
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-08-09 US disclosed
US-5650519-A Optically active 5, 5-disubstituted-3-(mono- or disubstituted amino)-2-thiohydantoin intermediates to fungicidal 2-imidazolin-5-ones RHONE-POULENC AGROCHIMIE (FR) 1997-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124605-A1 Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors MAP3K5, MAP3K9, MAP4K2 HDAC3 1740/4885HDAC4 1544/4885HDAC1 1151/4885
US-20170190714-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 HDAC3 1740/4885HDAC4 1544/4885HDAC1 1151/4885
US-20150158876-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 HDAC3 1740/4885HDAC4 1544/4885HDAC1 1151/4885
US-20070185143-A1 Pyrazolo-quinazoline derivatives, process for their preparation and their use as kinase inhibitors MAP3K5, MAP3K9, MAP3K19 HDAC3 1434/4885HDAC4 1361/4885HDAC1 1045/4885
US-20170050972-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 HDAC3 1740/4885HDAC4 1544/4885HDAC1 1151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.